General Information of the Compound
Compound ID
CP0482658
Compound Name
3-(1H-indol-2-ylmethyl)-6-methyl-1H-indole
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Structure
Formula
C18H16N2
Molecular Weight
260.34
Canonical SMILES
Cc1ccc2c(Cc3cc4ccccc4[nH]3)c[nH]c2c1
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InChI
InChI=1S/C18H16N2/c1-12-6-7-16-14(11-19-18(16)8-12)10-15-9-13-4-2-3-5-17(13)20-15/h2-9,11,19-20H,10H2,1H3
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InChIKey
FJXXGXJCSCYUNU-UHFFFAOYSA-N
Physicochemical Property
logP
4.54842
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
31.58
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
0
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 118886861
ChEMBL ID
CHEMBL4435394
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03976, Proprotein convertase subtilisin/kexin type 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 1400 nM
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